CERIUM [XE]6S(2)5D(1)4F(1), 1G
CHARGE = 58.000000
SYMMETRY SPECIES S P D F
NUMBER OF BASIS FUNCTIONS 27 23 15 10
NUMBER OF CLOSED SHELLS 6 4 2 0
NUMBER OF OPEN SHELLS 0 0 1 1
OPEN SHELL OCCUPATION NUMBER 0 0 1 1
*** FINAL SCF RESULTS ***
E = -8856.903630035
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S 6S
BASIS/ORB.ENERGY -1493.7401000 -243.2123400 -54.0965520 -11.6889860 -1.8795461 -0.1804378
S 3.4002773D+10 0.0000033 -0.0000012 0.0000005 0.0000003 0.0000001 0.0000000
S 3.6821855D+09 0.0000122 -0.0000043 0.0000020 0.0000009 0.0000004 -0.0000001
S 6.3306242D+08 0.0000361 -0.0000128 0.0000058 0.0000028 0.0000011 -0.0000003
S 1.3593059D+08 0.0000967 -0.0000342 0.0000156 0.0000074 0.0000030 -0.0000008
S 3.3661849D+07 0.0002362 -0.0000836 0.0000381 0.0000180 0.0000073 -0.0000021
S 9.4546455D+06 0.0005283 -0.0001873 0.0000854 0.0000403 0.0000163 -0.0000046
S 2.9434908D+06 0.0011267 -0.0003995 0.0001822 0.0000860 0.0000348 -0.0000099
S 9.8444848D+05 0.0023411 -0.0008333 0.0003800 0.0001794 0.0000727 -0.0000206
S 3.4744049D+05 0.0048218 -0.0017196 0.0007853 0.0003706 0.0001501 -0.0000426
S 1.2784612D+05 0.0098573 -0.0035521 0.0016220 0.0007661 0.0003105 -0.0000881
S 4.8945120D+04 0.0203550 -0.0073854 0.0033840 0.0015980 0.0006469 -0.0001837
S 1.9242127D+04 0.0429098 -0.0159982 0.0073355 0.0034692 0.0014073 -0.0003991
S 7.7939669D+03 0.0896352 -0.0343543 0.0158947 0.0075182 0.0030431 -0.0008644
S 3.2639051D+03 0.1784221 -0.0741861 0.0345404 0.0164005 0.0066628 -0.0018889
S 1.4057617D+03 0.3036157 -0.1420661 0.0680605 0.0324150 0.0131290 -0.0037321
S 6.2432795D+02 0.3426366 -0.2116276 0.1047627 0.0505294 0.0206384 -0.0058474
S 2.8605480D+02 0.1760726 -0.0806290 0.0418032 0.0199834 0.0079616 -0.0022880
S 1.1742270D+02 0.0188268 0.4603482 -0.3556700 -0.1877848 -0.0775781 0.0221673
S 5.3713756D+01 -0.0021931 0.6012844 -0.6317752 -0.3680984 -0.1575313 0.0448771
S 2.1268210D+01 0.0010210 0.1186464 0.3310220 0.2822343 0.1339180 -0.0383103
S 1.0898494D+01 -0.0006806 -0.0199803 0.8923129 1.0429765 0.5153219 -0.1520662
S 4.1719807D+00 0.0003342 0.0074861 0.1435604 -0.4269800 -0.3008405 0.0957527
S 2.1176082D+00 -0.0001747 -0.0038950 -0.0227472 -0.9687084 -0.9275494 0.3000578
S 6.1848114D-01 0.0000636 0.0013357 0.0063167 -0.0795404 0.6441450 -0.2686411
S 2.9824948D-01 -0.0000330 -0.0006772 -0.0031592 0.0199016 0.7193490 -0.4854452
S 5.6298194D-02 0.0000084 0.0001737 0.0007661 -0.0039770 0.0296163 0.6502643
S 2.4044171D-02 -0.0000039 -0.0000810 -0.0003566 0.0017959 -0.0094193 0.5521293
P 2P 3P 4P 5P
BASIS/ORB.ENERGY -217.7671500 -45.7950390 -8.8684195 -1.0807256
P 4.9656588D+07 0.0000034 -0.0000016 -0.0000008 -0.0000003
P 7.1956823D+06 0.0000112 -0.0000054 -0.0000025 -0.0000009
P 1.5032424D+06 0.0000333 -0.0000160 -0.0000074 -0.0000027
P 3.8118893D+05 0.0000937 -0.0000451 -0.0000209 -0.0000077
P 1.1330273D+05 0.0002546 -0.0001228 -0.0000569 -0.0000211
P 3.8093303D+04 0.0007086 -0.0003425 -0.0001587 -0.0000587
P 1.4078256D+04 0.0020034 -0.0009716 -0.0004507 -0.0001673
P 5.7048089D+03 0.0056947 -0.0027777 -0.0012891 -0.0004770
P 2.4778324D+03 0.0162747 -0.0080126 -0.0037289 -0.0013867
P 1.1409415D+03 0.0439920 -0.0220395 -0.0102855 -0.0038072
P 5.5310796D+02 0.1066400 -0.0550306 -0.0258733 -0.0096490
P 2.7888026D+02 0.2142994 -0.1155808 -0.0548018 -0.0203227
P 1.4520820D+02 0.3219996 -0.1831526 -0.0882141 -0.0331672
P 7.7499776D+01 0.3072044 -0.1607072 -0.0746141 -0.0271497
P 4.1795282D+01 0.1483836 0.0824664 0.0657147 0.0255986
P 2.2298162D+01 0.0249992 0.4436702 0.3144850 0.1295271
P 1.2099286D+01 0.0006280 0.4535800 0.3502528 0.1380939
P 6.4633354D+00 0.0000706 0.1454265 -0.1787283 -0.1007709
P 3.3301176D+00 -0.0001579 0.0105697 -0.6405199 -0.3809047
P 1.6913757D+00 0.0000045 0.0008423 -0.3697819 -0.1995020
P 7.4891759D-01 -0.0000099 -0.0001573 -0.0392782 0.4661997
P 3.4066318D-01 0.0000044 0.0000422 0.0012802 0.6064693
P 1.4035439D-01 -0.0000010 -0.0000121 -0.0003025 0.1500742
D 3D 4D 5D
BASIS/ORB.ENERGY -33.9024140 -4.6655514 -0.2644536
D 8.5871753D+03 0.0000870 -0.0000395 0.0000104
D 2.5294137D+03 0.0003530 -0.0001638 0.0000440
D 1.3393875D+03 0.0012766 -0.0005787 0.0001517
D 5.4596423D+02 0.0083824 -0.0038778 0.0010327
D 2.3085975D+02 0.0370914 -0.0171722 0.0045440
D 1.0535430D+02 0.1186398 -0.0562564 0.0150204
D 5.0954813D+01 0.2637820 -0.1249775 0.0331474
D 2.5360260D+01 0.3843876 -0.1760720 0.0469955
D 1.2871011D+01 0.3078746 -0.0674093 0.0130637
D 6.4460893D+00 0.0989099 0.2763074 -0.0881357
D 3.1430631D+00 0.0068562 0.5102379 -0.1658179
D 1.4712040D+00 0.0003970 0.3204659 -0.0453232
D 6.0389343D-01 -0.0001680 0.0506593 0.3265730
D 2.2905715D-01 0.0000607 -0.0013738 0.5549350
D 7.9096585D-02 -0.0000142 0.0006438 0.3219397
F 4F
BASIS/ORB.ENERGY -0.5501431
F 3.7591040D+02 -0.0002847
F 1.2980203D+02 -0.0024430
F 5.6167429D+01 -0.0126930
F 2.6239296D+01 -0.0441964
F 1.2591573D+01 -0.1199382
F 6.1042442D+00 -0.2377827
F 2.8869783D+00 -0.3367312
F 1.3071566D+00 -0.3437236
F 5.5124383D-01 -0.2410269
F 2.0550452D-01 -0.0936654